N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide

C18H12F3N3O2 — CID 131843137

IUPACN-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)c2ccccc2)c(C(F)(F)F)[nH]1)c1ccccc1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)15-13(14(25)11-7-3-1-4-8-11)22-17(23-15)24-16(26)12-9-5-2-6-10-12/h1-10H,(H2,22,23,24,26)
InChIKeyDCKHVHFJDWZVEG-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.91
Rot. Bonds4

About N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide

N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide (PubChem CID 131843137) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
PubChem CID131843137
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC NameN-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)c2ccccc2)c(C(F)(F)F)[nH]1)c1ccccc1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)15-13(14(25)11-7-3-1-4-8-11)22-17(23-15)24-16(26)12-9-5-2-6-10-12/h1-10H,(H2,22,23,24,26)
InChIKeyDCKHVHFJDWZVEG-UHFFFAOYSA-N
XLogP3.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565036
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-(2-benzoyl-6-chloro-3-pyridinyl)benzamide
CID 21448723
[4,5-dimethyl-2-(trifluoromethyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 51066147
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
[3,6-dimethyl-5-(trifluoromethyl)pyrazin-2-yl]-phenylmethanone
CID 174991278
[6-(2-benzamidobenzoyl)-1H-benzimidazol-2-yl]carbamoyl 2,2,2-trifluoroacetate
CID 87532665
N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide
CID 143135968
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide
CID 72721823
CID 161391832
CID 161391832
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334

Frequently Asked Questions

What is the IUPAC name of N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide?
The IUPAC name of N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide (CID 131843137) is N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide?
The canonical SMILES for N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide is O=C(Nc1nc(C(=O)c2ccccc2)c(C(F)(F)F)[nH]1)c1ccccc1.
What is the InChIKey of N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide?
The InChIKey is DCKHVHFJDWZVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-18(20,21)15-13(14(25)11-7-3-1-4-8-11)22-17(23-15)24-16(26)12-9-5-2-6-10-12/h1-10H,(H2,22,23,24,26).
What are the key properties of N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide?
N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide has a molecular weight of 359.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzoyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 131843137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).